N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

C24H26ClN3O5 — CID 55387478

IUPACN-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2CCOCC2)cc1
InChIInChI=1S/C24H26ClN3O5/c1-31-19-5-2-17(3-6-19)23(27-10-12-32-13-11-27)16-26-15-20-7-9-24(33-20)21-8-4-18(25)14-22(21)28(29)30/h2-9,14,23,26H,10-13,15-16H2,1H3
InChIKeyJAEKPZRAGQZZJH-UHFFFAOYSA-N
MW471.94 g/mol
LogP4.68
Rot. Bonds9

About N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (PubChem CID 55387478) has the molecular formula C24H26ClN3O5 and a molecular weight of 471.94 g/mol. Its IUPAC name is N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
PubChem CID55387478
Molecular FormulaC24H26ClN3O5
Molecular Weight471.94 g/mol
Exact Mass471.16
IUPAC NameN-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2CCOCC2)cc1
InChIInChI=1S/C24H26ClN3O5/c1-31-19-5-2-17(3-6-19)23(27-10-12-32-13-11-27)16-26-15-20-7-9-24(33-20)21-8-4-18(25)14-22(21)28(29)30/h2-9,14,23,26H,10-13,15-16H2,1H3
InChIKeyJAEKPZRAGQZZJH-UHFFFAOYSA-N
XLogP4.68
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-2-morpholin-4-ylpropan-1-amine
CID 119107901
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 18161642
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 47008151
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207
2-(4-chloro-2-nitrophenyl)-5-ethylfuran
CID 121010413
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 78809599
(2R)-2-(4-methoxyphenyl)-N-[(1-methylimidazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 100675598
3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline
CID 97060803
(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 32555677
1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-nitrophenyl)thiourea
CID 8683659
4-(4-chloro-2-nitrophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26918129

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (CID 55387478) is N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is COc1ccc(C(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2CCOCC2)cc1.
What is the InChIKey of N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The InChIKey is JAEKPZRAGQZZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5/c1-31-19-5-2-17(3-6-19)23(27-10-12-32-13-11-27)16-26-15-20-7-9-24(33-20)21-8-4-18(25)14-22(21)28(29)30/h2-9,14,23,26H,10-13,15-16H2,1H3.
What are the key properties of N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine has a molecular weight of 471.94 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 55387478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).